Chlorine in PDB 2oke: High Resolution Crystal Structures of Vaccinia Virus Dutpase

All present enzymatic activity of High Resolution Crystal Structures of Vaccinia Virus Dutpase:
3.6.1.23;

The structure of High Resolution Crystal Structures of Vaccinia Virus Dutpase, PDB code: 2oke was solved by N.Schormann, D.Chattopadhyay, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	13.47 / 2.50
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	120.460, 120.460, 50.100, 90.00, 90.00, 120.00
R / Rfree (%)	22 / 27.4

The structure of High Resolution Crystal Structures of Vaccinia Virus Dutpase also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the High Resolution Crystal Structures of Vaccinia Virus Dutpase (pdb code 2oke). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the High Resolution Crystal Structures of Vaccinia Virus Dutpase, PDB code: 2oke:

Chlorine binding site 1 out of 1 in the High Resolution Crystal Structures of Vaccinia Virus Dutpase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High Resolution Crystal Structures of Vaccinia Virus Dutpase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:23.0 occ:1.00 NE2 C:GLN118 3.1 17.1 1.0 NE2 A:GLN118 3.1 23.0 1.0 NE2 B:GLN118 3.3 17.0 1.0 NE C:ARG65 3.6 16.6 1.0 OH A:TYR63 3.6 17.8 1.0 OE1 C:GLN118 3.7 15.9 1.0 NE B:ARG65 3.7 10.9 1.0 OE1 B:GLN118 3.7 17.5 1.0 NE A:ARG65 3.8 16.2 1.0 CD C:GLN118 3.8 16.4 1.0 CD A:GLN118 3.8 22.9 1.0 NH2 C:ARG65 3.8 16.0 1.0 OE1 A:GLN118 3.9 23.9 1.0 OH B:TYR63 3.9 15.9 1.0 CD B:GLN118 4.0 16.6 1.0 CZ C:ARG65 4.0 16.5 1.0 OH C:TYR63 4.0 18.3 1.0 CZ A:ARG65 4.1 15.2 1.0 NH2 A:ARG65 4.1 14.8 1.0 CZ B:ARG65 4.3 10.8 1.0 CG B:ARG65 4.3 14.0 1.0 NH2 B:ARG65 4.3 9.8 1.0 CG C:ARG65 4.4 17.1 1.0 CD B:ARG65 4.4 13.0 1.0 CD C:ARG65 4.4 16.7 1.0 CG A:ARG65 4.4 17.7 1.0 CD A:ARG65 4.5 17.5 1.0 CZ A:TYR63 4.8 18.1 1.0 NH1 A:ARG65 5.0 13.6 1.0

A.Samal, N.Schormann, W.J.Cook, L.J.Delucas, D.Chattopadhyay. Structures of Vaccinia Virus Dutpase and Its Nucleotide Complexes. Acta Crystallogr.,Sect.D V. 63 571 2007.
ISSN: ISSN 0907-4449
PubMed: 17452782
DOI: 10.1107/S0907444907007871